Chemical Properties of Phthalic acid, di(4-methylthiophenyl) ester

InChI

InChI=1S/C22H18O4S2/c1-27-17-11-7-15(8-12-17)25-21(23)19-5-3-4-6-20(19)22(24)26-16-9-13-18(28-2)14-10-16/h3-14H,1-2H3

InChI Key

GLLRMUXKNJDMHJ-UHFFFAOYSA-N

Formula

C22H18O4S2

SMILES

CSc1ccc(OC(=O)c2ccccc2C(=O)Oc2ccc(SC)cc2)cc1

Molecular Weight¹

410.51

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	41.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-228.09	kJ/mol	Joback Calculated Property
ΔfusH°	47.53	kJ/mol	Joback Calculated Property
ΔvapH°	105.33	kJ/mol	Joback Calculated Property
log10WS	-7.13		Crippen Calculated Property
logPoct/wat	5.569		Crippen Calculated Property
McVol	297.140	ml/mol	McGowan Calculated Property
Pc	1964.82	kPa	Joback Calculated Property
Inp	[1542.00; 1542.00]
Inp	1542.00		NIST
Inp	1542.00		NIST
Tboil	1087.88	K	Joback Calculated Property
Tc	1363.05	K	Joback Calculated Property
Tfus	667.64	K	Joback Calculated Property
Vc	1.099	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[875.19; 886.97]	J/mol×K	[1087.88; 1363.05]
Cp,gas	875.19	J/mol×K	1087.88	Joback Calculated Property
Cp,gas	881.16	J/mol×K	1133.74	Joback Calculated Property
Cp,gas	885.08	J/mol×K	1179.60	Joback Calculated Property
Cp,gas	886.97	J/mol×K	1225.47	Joback Calculated Property
Cp,gas	886.89	J/mol×K	1271.33	Joback Calculated Property
Cp,gas	884.87	J/mol×K	1317.19	Joback Calculated Property
Cp,gas	880.96	J/mol×K	1363.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, di(4-methylthiophenyl) ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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